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CAS 105-79-3

:

isobutyl caproate

Description:
Isobutyl caproate, with the CAS number 105-79-3, is an ester formed from isobutanol and caproic acid. It is characterized by its fruity aroma, often described as reminiscent of apples or pears, making it a popular choice in the flavor and fragrance industries. The compound is a colorless liquid at room temperature and is known for its relatively low boiling point. Isobutyl caproate is soluble in organic solvents but has limited solubility in water due to its hydrophobic nature. Its chemical structure features a branched isobutyl group attached to a caproate moiety, contributing to its unique sensory properties. In addition to its applications in food flavoring, it is also utilized in the production of perfumes and as a solvent in various chemical processes. Safety data indicates that, while generally regarded as safe in low concentrations, it should be handled with care to avoid potential irritation or adverse effects upon exposure.
Formula:C10H20O2
InChI:InChI=1S/C10H20O2/c1-4-5-6-7-10(11)12-8-9(2)3/h9H,4-8H2,1-3H3
InChI key:InChIKey=UXUPPWPIGVTVQI-UHFFFAOYSA-N
SMILES:C(OCC(C)C)(CCCCC)=O
Synonyms:
  • 2-Methyl-1-propyl caproate
  • 2-Methylpropyl Hexanoate
  • Hexanoic acid, 2-methylpropyl ester
  • Hexanoic acid, isobutyl ester
  • Isobutyl hexanoate
  • n-Caproic acid isobutyl ester
  • Isobutyl caproate
  • LABOTEST-BB LT00053713
  • FEMA 2202
  • BUTYL ISO, CAPROATE
  • See more synonyms
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